methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-fluoranyl-benzoate

Systemtic Name: methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-fluoranyl-benzoate Openeye Name: methyl 3-(1-cyano-2-oxo-3-phenyl-propyl)-5-fluoro-benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)-5-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(1-cyano-2-oxo-3-phenylpropyl)-5-fluorobenzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)-5-fluoro-benzoic acid methyl ester Formula: C18H14FNO3 MolecularWeight: 311.307063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)F)C(C#N)C(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)F)C(C#N)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H14FNO3/c1-23-18(22)14-8-13(9-15(19)10-14)16(11-20)17(21)7-12-5-3-2-4-6-12/h2-6,8-10,16H,7H2,1H3